N-methyl-6-(2-methylazepan-1-yl)pyridin-2-amine

C13H21N3 — CID 80835819

IUPACN-methyl-6-(2-methylazepan-1-yl)pyridin-2-amine
SMILESCNc1cccc(N2CCCCCC2C)n1
InChIInChI=1S/C13H21N3/c1-11-7-4-3-5-10-16(11)13-9-6-8-12(14-2)15-13/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,14,15)
InChIKeyPBOUJJXZVHKRBQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.89
Rot. Bonds2

About N-methyl-6-(2-methylazepan-1-yl)pyridin-2-amine

N-methyl-6-(2-methylazepan-1-yl)pyridin-2-amine (PubChem CID 80835819) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-6-(2-methylazepan-1-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(2-methylazepan-1-yl)pyridin-2-amine
PubChem CID80835819
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-methyl-6-(2-methylazepan-1-yl)pyridin-2-amine
SMILESCNc1cccc(N2CCCCCC2C)n1
InChIInChI=1S/C13H21N3/c1-11-7-4-3-5-10-16(11)13-9-6-8-12(14-2)15-13/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,14,15)
InChIKeyPBOUJJXZVHKRBQ-UHFFFAOYSA-N
XLogP2.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-methylazepan-1-yl)pyridin-2-amine?
The IUPAC name of N-methyl-6-(2-methylazepan-1-yl)pyridin-2-amine (CID 80835819) is N-methyl-6-(2-methylazepan-1-yl)pyridin-2-amine.
What is the SMILES notation for N-methyl-6-(2-methylazepan-1-yl)pyridin-2-amine?
The canonical SMILES for N-methyl-6-(2-methylazepan-1-yl)pyridin-2-amine is CNc1cccc(N2CCCCCC2C)n1.
What is the InChIKey of N-methyl-6-(2-methylazepan-1-yl)pyridin-2-amine?
The InChIKey is PBOUJJXZVHKRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11-7-4-3-5-10-16(11)13-9-6-8-12(14-2)15-13/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,14,15).
What are the key properties of N-methyl-6-(2-methylazepan-1-yl)pyridin-2-amine?
N-methyl-6-(2-methylazepan-1-yl)pyridin-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-methylazepan-1-yl)pyridin-2-amine is sourced from PubChem (CID 80835819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).